>compound 2-Hydroxyisobutyric acid_2-Hydroxyisobutyric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C4H8O3
#smiles OC(=O)C(C)(C)O
#RECORD LC-ESI-QTOF_train_data/PR100047.txt;LC-ESI-QTOF_train_data/PR100506.txt;LC-ESI-QTOF_train_data/PR100507.txt
>charge 1
>ionization [M+H]+
>parentmass 105.05514

>collision 5-60
105.0126 0.9742
105.0551 46.44

>collision 5-60
57.0356 18.1
85.0273 2.567
103.0395 240.0
103.2074 2.476
103.293 2.527
103.7494 2.921
103.8393 2.58

>collision 30
103.0395 2.739

